methyl 2-(4-hydroxyphenyl)-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 2-(4-hydroxyphenyl)-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophene-6-carboxylate Openeye Name: methyl 2-(4-hydroxyphenyl)-3-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]benzothiophene-6-carboxylate CAS Name: 2-(4-hydroxyphenyl)-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-hydroxyphenyl)-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophene-6-carboxylate Traditional Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzyl]benzothiophene-6-carboxylic acid methyl ester Formula: C30H31NO4S MolecularWeight: 501.63644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)CC4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)CC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C30H31NO4S/c1-34-30(33)23-9-14-26-27(29(36-28(26)20-23)22-7-10-24(32)11-8-22)19-21-5-12-25(13-6-21)35-18-17-31-15-3-2-4-16-31/h5-14,20,32H,2-4,15-19H2,1H3